3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol

C18H19FN4O — CID 126782854

IUPAC3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol
SMILESOc1cc(F)cc(CN2CCCC(c3nnc4ccccn34)C2)c1
InChIInChI=1S/C18H19FN4O/c19-15-8-13(9-16(24)10-15)11-22-6-3-4-14(12-22)18-21-20-17-5-1-2-7-23(17)18/h1-2,5,7-10,14,24H,3-4,6,11-12H2
InChIKeyPQLBZLJJFJGJMO-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.95
Rot. Bonds3

About 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol

3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol (PubChem CID 126782854) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol
PubChem CID126782854
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol
SMILESOc1cc(F)cc(CN2CCCC(c3nnc4ccccn34)C2)c1
InChIInChI=1S/C18H19FN4O/c19-15-8-13(9-16(24)10-15)11-22-6-3-4-14(12-22)18-21-20-17-5-1-2-7-23(17)18/h1-2,5,7-10,14,24H,3-4,6,11-12H2
InChIKeyPQLBZLJJFJGJMO-UHFFFAOYSA-N
XLogP2.95
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 75514760
N-ethyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99961247
2-methyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136306
1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337
3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99942074
3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124750094
3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 100624676
[4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009006
5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 131934151
3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124907243
[1-(3-fluorophenyl)cyclopropyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 138998462
6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
CID 50969547

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol (CID 126782854) is 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol is Oc1cc(F)cc(CN2CCCC(c3nnc4ccccn34)C2)c1.
What is the InChIKey of 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol?
The InChIKey is PQLBZLJJFJGJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-8-13(9-16(24)10-15)11-22-6-3-4-14(12-22)18-21-20-17-5-1-2-7-23(17)18/h1-2,5,7-10,14,24H,3-4,6,11-12H2.
What are the key properties of 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol?
3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol has a molecular weight of 326.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 126782854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).